PubChemLite - [2-[4-[4-[(5s)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy]-1-piperidyl]-2-oxo-ethyl] acetate (C21H26FN3O7)

Structural Information

Molecular Formula

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OC3CCN(CC3)C(=O)COC(=O)C)F

InChI

InChI=1S/C21H26FN3O7/c1-13(26)23-10-17-11-25(21(29)32-17)15-3-4-19(18(22)9-15)31-16-5-7-24(8-6-16)20(28)12-30-14(2)27/h3-4,9,16-17H,5-8,10-12H2,1-2H3,(H,23,26)/t17-/m0/s1

InChIKey

UMIBTBNDJZLZMN-KRWDZBQOSA-N

Compound name

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]piperidin-1-yl]-2-oxoethyl] acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	452.18276	203.6
[M+Na]+	474.16470	206.2
[M-H]-	450.16820	209.2
[M+NH4]+	469.20930	209.0
[M+K]+	490.13864	205.5
[M+H-H2O]+	434.17274	192.9
[M+HCOO]-	496.17368	216.0
[M+CH3COO]-	510.18933	233.0
[M+Na-2H]-	472.15015	197.8
[M]+	451.17493	203.3
[M]-	451.17603	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.18276

203.6

[M+Na]+

474.16470

206.2

[M-H]-

450.16820

209.2

[M+NH4]+

469.20930

209.0

[M+K]+

490.13864

205.5

[M+H-H2O]+

434.17274

192.9

[M+HCOO]-

496.17368

216.0

[M+CH3COO]-

510.18933

233.0

[M+Na-2H]-

472.15015

197.8

[M]+

451.17493

203.3

[M]-

451.17603

203.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

[2-[4-[4-[(5s)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxy]-1-piperidyl]-2-oxo-ethyl] acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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